3'-O-[6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4,7,8-tetrahydropteridin-8-yl)]hexanoyl-thymidine | 1334668-17-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 3'-O-[6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4,7,8-tetrahydropteridin-8-yl)]hexanoyl-thymidine
• CAS: 1334668-17-5
• 化学式: C₂₄H₃₁N₇O₈
• 分子量: 545.552
• InChiKey: YJGJFOVNEVEUDS-ARFHVFGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.01
• 重原子数：
  39.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  206.42
• 氢给体数：
  3.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  3'-O-[6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4,7,8-tetrahydropteridin-8-yl)]hexanoyl-thymidine 在 吡啶 、 三氯氧磷 作用下， 反应 0.17h， 生成
  参考文献：
  名称：

  Nucleotides Part LXXX: Synthesis of 3′-O Fluorescence Labeled Thymidine Derivatives and Their 5′-O-Triphosphates

  摘要：

  A new labeling technique attaching a fluorescent pteridine derivative (3, 5) via a linker onto the 3'-OH group of 5'-O-dimethoxytritylthymidine (7) was developed to lead to the conjugates 8 and 11. After detritylation to give 9 and 12, the final conversion into the corresponding 5'-triphosphates (13, 14), which were isolated as sodium salts, was performed by known methods.

  DOI：

  10.1080/15257770.2011.578089
• 作为产物：
  描述：

  6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4-dihydropteridin-8(7H)-yl)hexanoic acid 在 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.33h， 生成 3'-O-[6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4,7,8-tetrahydropteridin-8-yl)]hexanoyl-thymidine
  参考文献：
  名称：

  Nucleotides Part LXXX: Synthesis of 3′-O Fluorescence Labeled Thymidine Derivatives and Their 5′-O-Triphosphates

  摘要：

  A new labeling technique attaching a fluorescent pteridine derivative (3, 5) via a linker onto the 3'-OH group of 5'-O-dimethoxytritylthymidine (7) was developed to lead to the conjugates 8 and 11. After detritylation to give 9 and 12, the final conversion into the corresponding 5'-triphosphates (13, 14), which were isolated as sodium salts, was performed by known methods.

  DOI：

  10.1080/15257770.2011.578089